N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamide
TL;DR: N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamide (CAS 131695-12-0) is a chemical compound with molecular formula C17H17Cl2N3OS and molecular weight 381.04694 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2,2-dichloro-1-(phenylcarbamothioylamino)ethyl]-4-methylbenzamide
Also Known As: N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamide, N-[2,2-dichloro-1-(phenylcarbamothioylamino)ethyl]-4-methylbenzamide, N-[2,2-dichloro-1-(phenylthiocarbamoylamino)ethyl]-4-methyl-benzamide, N-{1-[(anilinocarbothioyl)amino]-2,2-dichloroethyl}-4-methylbenzamide, 656-938-1
Technical Specifications
| Molecular Formula | C17H17Cl2N3OS |
| Molecular Weight | 381.04694 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.04694 Da |
| Heavy Atoms | 24 |
| Complexity | 422.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)NC(C(Cl)Cl)NC(=S)NC2=CC=CC=C2 |
| InChIKey | NTEJZZHZFKDZRR-UHFFFAOYSA-N |
Chemical Property Profile of N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamide
Property Insights of N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamide
The XLogP value of 4.4 indicates that N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamide. Following Lipinski's Rule of Five, N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamide has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamide?
The CAS number of N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamide is 131695-12-0.
What is the molecular formula of N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamide?
The molecular formula of N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamide is C17H17Cl2N3OS.
What is the molecular weight of N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamide?
The molecular weight of N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamide is 381.04694 g/mol.
Where can I buy N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamide?
You can request a quote for N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamide?
Yes, CoreyChem provides custom synthesis services for N-(1-((Anilinocarbothioyl)amino)-2,2-dichloroethyl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.